Background: Virtual or in silico ligand screening combined with other computational methods is one of the most promising methods to search for new lead compounds, thereby greatly ...
Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno ...
Background: The problem of protein structure prediction consists of predicting the functional or native structure of a protein given its linear sequence of amino acids. This probl...
The relation between atomistic structure, architecture, molecular weight and material properties is a basic concern of modern soft material science. This by now goes far beyond st...
Matej Praprotnik, Christoph Junghans, Luigi Delle ...
Traditional approaches for surface reconstruction from range data require that the input data be either range images or unorganized sets of points. Since a large number of range s...
Background: Accurately covering the conformational space of amino acid side chains is essential for important applications such as protein design, docking and high resolution stru...
Tim Harder, Wouter Boomsma, Martin Paluszewski, Je...